3-(methylaminomethyl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-4-ol

C8H13N3O — CID 83863537

IUPAC3-(methylaminomethyl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-4-ol
SMILESCNCc1n[nH]c2c1C(O)CC2
InChIInChI=1S/C8H13N3O/c1-9-4-6-8-5(10-11-6)2-3-7(8)12/h7,9,12H,2-4H2,1H3,(H,10,11)
InChIKeyNGONVJMKLZZWAK-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.11
Rot. Bonds2

About 3-(methylaminomethyl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-4-ol

3-(methylaminomethyl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-4-ol (PubChem CID 83863537) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 3-(methylaminomethyl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-4-ol.

Molecular Properties

Compound Name3-(methylaminomethyl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-4-ol
PubChem CID83863537
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name3-(methylaminomethyl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-4-ol
SMILESCNCc1n[nH]c2c1C(O)CC2
InChIInChI=1S/C8H13N3O/c1-9-4-6-8-5(10-11-6)2-3-7(8)12/h7,9,12H,2-4H2,1H3,(H,10,11)
InChIKeyNGONVJMKLZZWAK-UHFFFAOYSA-N
XLogP0.11
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-5-fluoro-5-methyl-3-(trifluoromethyl)-4,6-dihydro-1H-cyclopenta[c]pyrazol-4-ol
CID 168250442
5,6-Difluoro-3-(trifluoromethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazol-4-ol;1,2,3-trifluorocyclohexane
CID 168250475
5,6-Difluoro-3-(trifluoromethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazol-4-ol
CID 168250476
5,5-difluoro-3-(trifluoromethyl)-4,6-dihydro-1H-cyclopenta[c]pyrazol-4-ol
CID 168250506
(S)-5,5-Difluoro-3-(trifluoromethyl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-4-ol
CID 168250594
1,2-Difluorocyclohexane;5,6-difluoro-3-(trifluoromethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazol-4-ol
CID 168250604
1,3-difluorocyclohexane;5,5-difluoro-3-(trifluoromethyl)-4,6-dihydro-1H-cyclopenta[c]pyrazol-4-ol
CID 168250656
5,5,6-trifluoro-3-(trifluoromethyl)-4,6-dihydro-1H-cyclopenta[d]pyrazol-4-ol
CID 168250717
5,5-difluoro-3-(trifluoromethyl)-4,6-dihydro-1H-cyclopenta[c]pyrazol-4-ol;fluorocyclohexane
CID 168250762
3-(Trifluoromethyl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-4-ol
CID 172395389
3-Methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-4-ol
CID 66489160
3-Ethyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-4-ol
CID 66489185

Frequently Asked Questions

What is the IUPAC name of 3-(methylaminomethyl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-4-ol?
The IUPAC name of 3-(methylaminomethyl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-4-ol (CID 83863537) is 3-(methylaminomethyl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-4-ol.
What is the SMILES notation for 3-(methylaminomethyl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-4-ol?
The canonical SMILES for 3-(methylaminomethyl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-4-ol is CNCc1n[nH]c2c1C(O)CC2.
What is the InChIKey of 3-(methylaminomethyl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-4-ol?
The InChIKey is NGONVJMKLZZWAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-9-4-6-8-5(10-11-6)2-3-7(8)12/h7,9,12H,2-4H2,1H3,(H,10,11).
What are the key properties of 3-(methylaminomethyl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-4-ol?
3-(methylaminomethyl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-4-ol has a molecular weight of 167.21 g/mol, XLogP of 0.11, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylaminomethyl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-4-ol is sourced from PubChem (CID 83863537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).